Molecule

ID:98390

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₂O₂
Molecular Mass
186.1554264
Exact Mass
186.04923594
Charge
0
InChI
InChI=1S/C9H8F2O2/c1-6(12)7-4-2-3-5-8(7)13-9(10)11/h2-5,9H,1H3
InChIKey
GSIJRMUIVJNUGP-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccccc1C(=O)C)F
Isomeric Smiles
O=C(c1c(cccc1)OC(F)F)C
Calculated Properties
JChem
Acid pKa
15.53003
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2999804
LogD (pH = 7.4)
2.2999804
Log P
2.2999804
Molar Refractivity
42.9329
Polarizability
16.137098
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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